Omalizumab / 7shz

A4DAB191_7shz_K_L | Source PDB: 7shz | Chains: K, L | Done
96.12
Yes
10 Å
Yes
Avg A4D Score
-0.6818
Max Score
1.4816
Min Score
-2.9862
Total Score
-158.19
Score CDR
-0.6283
Score non-CDR
-0.6973

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASIKYSGETKYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSDIQLTQSPSSLSASVGDRVTITCRASKPVDGEGDSYLNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIK input.pdb
Selected Chain(s) K (Heavy), L (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -2.9862
Maximum Score 1.4816
Average Score -0.6818
Total Score -158.1855

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E K -2.1544 Soluble
2 V K 0.0000 Buried
3 Q K -1.5253 Soluble
4 L K 0.0000 Buried
5 V K 0.6522 Aggregation-prone
6 E K 0.0000 Buried
7 S K -0.3047 Soluble
8 G K -0.6010 Soluble
9 G K 0.0693 Aggregation-prone
11 G K 0.7847 Aggregation-prone
12 L K 1.3082 Aggregation-prone
13 V K 0.0000 Buried
14 Q K -1.3376 Soluble
15 P K -1.6506 Soluble
16 G K -1.4207 Soluble
17 G K -1.2590 Soluble
18 S K -1.5278 Soluble
19 L K -1.3152 Soluble
20 R K -2.3338 Soluble
21 L K 0.0000 Buried
22 S K -0.6575 Soluble
23 C K 0.0000 Buried
24 A K -0.2227 Soluble
25 V K 0.0000 Buried
26 S K -1.0386 Soluble
27 G K -1.2455 Soluble
28 Y K -0.5203 Soluble
29 S K -0.5397 Soluble
30 I K 0.0000 Buried
31 T K -0.5024 Soluble
35 S K -0.0416 Soluble
36 G K 0.0578 Aggregation-prone
37 Y K 0.1731 Aggregation-prone
38 S K 0.0000 Buried
39 W K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 I K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.5996 Soluble
45 A K -1.0731 Soluble
46 P K -0.8755 Soluble
47 G K -1.5519 Soluble
48 K K -2.3426 Soluble
49 G K -1.5673 Soluble
50 L K 0.0000 Buried
51 E K -0.8521 Soluble
52 W K 0.0000 Buried
53 V K 0.0000 Buried
54 A K 0.0000 Buried
55 S K 0.0000 Buried
56 I K 0.0000 Buried
57 K K -0.7015 Soluble
58 Y K -0.0552 Soluble
59 S K -0.5312 Soluble
63 G K -1.0350 Soluble
64 E K -1.7432 Soluble
65 T K -1.1139 Soluble
66 K K -1.4561 Soluble
67 Y K -0.9837 Soluble
68 N K 0.0000 Buried
69 P K -1.5424 Soluble
70 S K -0.9580 Soluble
71 V K 0.0000 Buried
72 K K -2.2208 Soluble
74 G K -1.7127 Soluble
75 R K -1.7504 Soluble
76 I K 0.0000 Buried
77 T K -1.1788 Soluble
78 I K 0.0000 Buried
79 S K -0.7959 Soluble
80 R K -1.6281 Soluble
81 D K -2.4337 Soluble
82 D K -2.9862 Soluble
83 S K -2.2455 Soluble
84 K K -2.7904 Soluble
85 N K -2.1195 Soluble
86 T K 0.0000 Buried
87 F K 0.0000 Buried
88 Y K 0.0000 Buried
89 L K 0.0000 Buried
90 Q K -1.7059 Soluble
91 M K 0.0000 Buried
92 N K -2.2188 Soluble
93 S K -1.5521 Soluble
94 L K 0.0000 Buried
95 R K -2.5832 Soluble
96 A K -1.8663 Soluble
97 E K -2.3232 Soluble
98 D K 0.0000 Buried
99 T K -0.4872 Soluble
100 A K 0.0000 Buried
101 V K 0.5657 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 R K -0.2574 Soluble
107 G K 0.0000 Buried
108 S K -0.3359 Soluble
109 H K -0.4692 Soluble
110 Y K 0.4817 Aggregation-prone
111 F K 1.2854 Aggregation-prone
112A G K 0.2056 Aggregation-prone
112 H K -0.1433 Soluble
113 W K 0.0000 Buried
114 H K 0.0000 Buried
115 F K 0.0000 Buried
116 A K -0.3872 Soluble
117 V K -0.4594 Soluble
118 W K -0.5882 Soluble
119 G K 0.0000 Buried
120 Q K -1.2469 Soluble
121 G K 0.0000 Buried
122 T K 0.0000 Buried
123 L K 1.4816 Aggregation-prone
124 V K 0.0000 Buried
125 T K 0.2356 Aggregation-prone
126 V K 0.0000 Buried
127 S K -0.7887 Soluble
128 S K -0.8791 Soluble
1 D L -2.8474 Soluble
2 I L 0.0000 Buried
3 Q L -2.3304 Soluble
4 L L 0.0000 Buried
5 T L -1.2569 Soluble
6 Q L 0.0000 Buried
7 S L -0.6455 Soluble
8 P L -0.4546 Soluble
9 S L -0.7040 Soluble
10 S L -0.7727 Soluble
11 L L -0.6469 Soluble
12 S L -0.9681 Soluble
13 A L -0.8643 Soluble
14 S L -0.5694 Soluble
15 V L 0.3264 Aggregation-prone
16 G L -0.6827 Soluble
17 D L -1.6279 Soluble
18 R L -2.3256 Soluble
19 V L 0.0000 Buried
20 T L -0.6171 Soluble
21 I L 0.0000 Buried
22 T L -0.7947 Soluble
23 C L 0.0000 Buried
24 R L -2.4105 Soluble
25 A L 0.0000 Buried
26 S L -2.1431 Soluble
27 K L -2.8900 Soluble
28 P L -2.0071 Soluble
29 V L 0.0000 Buried
30 D L -2.1341 Soluble
31 G L -1.8354 Soluble
34 E L -2.1808 Soluble
35 G L -1.7843 Soluble
36 D L -1.3145 Soluble
37 S L 0.0000 Buried
38 Y L 0.0000 Buried
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L -1.3815 Soluble
45 K L -1.7157 Soluble
46 P L -1.1834 Soluble
47 G L -1.6953 Soluble
48 K L -2.6434 Soluble
49 A L -1.7486 Soluble
50 P L 0.0000 Buried
51 K L -1.9501 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5038 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1255 Aggregation-prone
66 Y L 0.8688 Aggregation-prone
67 L L 0.6368 Aggregation-prone
68 E L -0.2081 Soluble
69 S L -0.3525 Soluble
70 G L -0.6066 Soluble
71 V L 0.0000 Buried
72 P L -0.4302 Soluble
74 S L -0.4400 Soluble
75 R L -0.7799 Soluble
76 F L 0.0000 Buried
77 S L -0.1736 Soluble
78 G L -0.0732 Soluble
79 S L -0.5859 Soluble
80 G L -1.0435 Soluble
83 S L -1.3562 Soluble
84 G L -1.5989 Soluble
85 T L -1.9937 Soluble
86 D L -2.2979 Soluble
87 F L 0.0000 Buried
88 T L -0.7503 Soluble
89 L L 0.0000 Buried
90 T L -0.6019 Soluble
91 I L 0.0000 Buried
92 S L -1.3281 Soluble
93 S L -1.0909 Soluble
94 L L 0.0000 Buried
95 Q L -0.8638 Soluble
96 P L -0.8573 Soluble
97 E L -1.7350 Soluble
98 D L 0.0000 Buried
99 F L -0.8868 Soluble
100 A L 0.0000 Buried
101 T L -0.7302 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.0000 Buried
108 H L -1.4030 Soluble
109 E L -2.3232 Soluble
114 D L -2.6660 Soluble
115 P L -1.9548 Soluble
116 Y L -1.2249 Soluble
117 T L -1.1995 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6251 Soluble
121 G L -1.1249 Soluble
122 T L 0.0000 Buried
123 K L -1.1771 Soluble
124 V L 0.0000 Buried
125 E L -1.3857 Soluble
126 I L -1.0397 Soluble
127 K L -1.5786 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.6824 3.3888 CSV PDB
4.5 -0.7248 3.3491 CSV PDB
5.0 -0.7749 3.3035 CSV PDB
5.5 -0.8231 3.2694 CSV PDB
6.0 -0.8589 3.2656 CSV PDB
6.5 -0.8751 3.2939 CSV PDB
7.0 -0.8731 3.3298 CSV PDB
7.5 -0.8597 3.3509 CSV PDB
8.0 -0.8397 3.3574 CSV PDB
8.5 -0.8137 3.3576 CSV PDB
9.0 -0.7811 3.3566 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH